Information card for entry 7050990

Structure parameters

• Formula: C4 N6 Pb
• Calculated formula: C4 N6 Pb
• SMILES: N#C[N-]C#N.[N-](C#N)C#N.[Pb+2]
• Title of publication: Pb(dca)2 (dca???=???dicyanamide): a novel 3D compound with unusual coordination modes of dicyanamide
• Authors of publication: Shi, Yu-Jun; Chen, Xue-Tai; Li, Yi-Zhi; Xue, Ziling; You, Xiao-Zeng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 1711
• a: 13.501 ± 0.002 Å
• b: 3.995 ± 0.001 Å
• c: 11.98 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 646.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No